SCHEMBL2811503

SCHEMBL2811503

COCCCCc1cccc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
DAO P14920 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ENPP2 Q13822 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
S1PR1 P21453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS1 P29475 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL661713 0.95 CYP4F2 (0.44) CYP4F2CYP4A11LPLLIPGDAO
SCHEMBL2807293 0.87 ENPP2 (0.44) CYP4F2CYP4A11DAOENPP2CHRM2
SCHEMBL10235743 0.84 LPL (0.49) LPLLIPGKDM4EALDH1A1
SCHEMBL3837696 0.84 LPL (0.45) CYP4F2CYP4A11LPLLIPGKDM4E
SCHEMBL2807196 0.82 CYP4F2 (0.40) CYP4F2CYP4A11LPLLIPGHDAC1
SCHEMBL3839356 0.82 LPL (0.46) CYP4F2CYP4A11LPLLIPGKDM4E
SCHEMBL10235643 0.82 LPL (0.50) LPLLIPG
SCHEMBL611421 0.82 TAAR1 (0.47) CYP4F2CYP4A11
SCHEMBL610114 0.81 TAAR1 (0.46)
SCHEMBL7990214 0.80 TAAR1 (0.53) CYP4F2CYP4A11DAOALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE CYP4F2 254/4885CYP4A11 39/4885LPL 608/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE CYP4F2 324/4885CYP4A11 53/4885LPL 503/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE CYP4F2 324/4885CYP4A11 53/4885LPL 503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.